2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C12H12FNO — CID 175452191

IUPAC2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1c(F)cc(CO)c2c1CCCC2
InChIInChI=1S/C12H12FNO/c13-12-5-8(7-15)9-3-1-2-4-10(9)11(12)6-14/h5,15H,1-4,7H2
InChIKeyLGNGXZPZGCBBSX-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.07
Rot. Bonds1

About 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (PubChem CID 175452191) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID175452191
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1c(F)cc(CO)c2c1CCCC2
InChIInChI=1S/C12H12FNO/c13-12-5-8(7-15)9-3-1-2-4-10(9)11(12)6-14/h5,15H,1-4,7H2
InChIKeyLGNGXZPZGCBBSX-UHFFFAOYSA-N
XLogP2.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-6-(hydroxymethyl)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-3-carbonitrile
CID 170065780
6-fluoro-4-(hydroxymethyl)-2-(methoxymethyl)-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 168942459
methyl 4-cyano-3-fluoro-5-(hydroxymethyl)benzoate
CID 131530370
(8-fluoro-9-isocyano-2,3,4,5-tetrahydro-1-benzoxepin-6-yl)methanol
CID 171417589
2,6-difluoro-4-prop-1-en-2-ylbenzonitrile
CID 148649310
1,2,3,6,7,8-hexahydro-as-indacene-4,5-dicarbonitrile
CID 22157187
(1R)-5-fluoro-1-(hydroxymethyl)-2,3-dihydro-1H-indene-4-carbonitrile
CID 124560327
2,6-difluoro-4-(9-thiabicyclo[3.3.1]nonane-3-carbonyl)benzonitrile
CID 171939863
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
3-chloro-2-fluoro-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 177336776
3-fluoro-4-hydroxy-5-(hydroxymethyl)benzonitrile
CID 131537406
(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 59218412

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (CID 175452191) is 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is N#Cc1c(F)cc(CO)c2c1CCCC2.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is LGNGXZPZGCBBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-12-5-8(7-15)9-3-1-2-4-10(9)11(12)6-14/h5,15H,1-4,7H2.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 205.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 175452191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).